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1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine

C16H19F3N4O — CID 154761426

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
SMILESCn1ccnc1[C@@H]1OCC[C@H]1CNCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H19F3N4O/c1-23-7-6-21-15(23)14-11(5-8-24-14)9-20-10-12-3-2-4-13(22-12)16(17,18)19/h2-4,6-7,11,14,20H,5,8-10H2,1H3/t11-,14+/m0/s1
InChIKeyRCGOIGYHMFEOGX-SMDDNHRTSA-N
MW340.35 g/mol
LogP2.70
Rot. Bonds5

About 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine

1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine (PubChem CID 154761426) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
PubChem CID154761426
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
SMILESCn1ccnc1[C@@H]1OCC[C@H]1CNCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H19F3N4O/c1-23-7-6-21-15(23)14-11(5-8-24-14)9-20-10-12-3-2-4-13(22-12)16(17,18)19/h2-4,6-7,11,14,20H,5,8-10H2,1H3/t11-,14+/m0/s1
InChIKeyRCGOIGYHMFEOGX-SMDDNHRTSA-N
XLogP2.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
The IUPAC name of 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine (CID 154761426) is 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine is Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
The InChIKey is RCGOIGYHMFEOGX-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-23-7-6-21-15(23)14-11(5-8-24-14)9-20-10-12-3-2-4-13(22-12)16(17,18)19/h2-4,6-7,11,14,20H,5,8-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine has a molecular weight of 340.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine is sourced from PubChem (CID 154761426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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